NCI60_004450
TL;DR: NCI60_004450 (CAS 96699-71-7) is a chemical compound with molecular formula C22H25ClN2OS and molecular weight 400.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[3-(2-chlorophenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
Also Known As: NCI60_004450, 8-[3-(2-chloro-10h-phenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol, J2.291.983K, 8-(3-(10-(2-Chlorophenothiazinyl))propyl)pseudo-3-hydroxynortropane, 1-alpha-H,5-alpha-H-Nortropan-3-beta-ol, 8-(3-(2-chlorophenothiazin-10-yl)propyl)-
| Molecular Formula | C22H25ClN2OS |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.1376 |
| Heavy Atoms | 27 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 96699-71-7 |
|---|---|
| SMILES | C1CC2CC(CC1N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O |
| InChIKey | FVXMKGRYMOKOFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCI60_004450 (CAS 96699-71-7), with molecular formula C22H25ClN2OS and molecular weight 400.14 g/mol. IUPAC: 8-[3-(2-chlorophenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol.
Chemical Property Profile of NCI60_004450
Property Insights of NCI60_004450
The XLogP value of 5.7 indicates that NCI60_004450 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, NCI60_004450 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_004450 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_004450?
The CAS number of NCI60_004450 is 96699-71-7.
What is the molecular formula of NCI60_004450?
The molecular formula of NCI60_004450 is C22H25ClN2OS.
What is the molecular weight of NCI60_004450?
The molecular weight of NCI60_004450 is 400.14 g/mol.
Where can I buy NCI60_004450?
You can request a quote for NCI60_004450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_004450?
Yes, KEHONG BIO provides custom synthesis services for NCI60_004450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.